SCHEMBL5554435

SCHEMBL5554435

Cc1c(C(C)C(=O)OC2CCCC2)c2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.38
TSHR P16473 1/20 0.37
HSD11B1 P28845 1/20 0.36
CYP19A1 P11511 1/20 0.34
MGLL Q99685 6/20 0.34
HPGD P15428 1/20 0.33
FAAH O00519 1/20 0.33
HCRTR1 O43613 1/20 0.33
PGR P06401 1/20 0.32
KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5797314 0.98 TSHR (0.37) PTGS2TSHRHSD11B1CYP19A1MGLL
SCHEMBL5822590 0.95 PTGS2 (0.38) PTGS2TSHRCYP19A1MGLLFAAH
SCHEMBL5797074 0.91 PTGS2 (0.47) PTGS2
SCHEMBL5798472 0.90 PTGS2 (0.38) PTGS2HSD11B1CYP19A1MGLLFAAH
SCHEMBL5800883 0.89 PTGS2 (0.45) PTGS2
SCHEMBL5800966 0.89 PTGS2 (0.38) PTGS2HSD11B1MGLL
SCHEMBL5820012 0.88 PTGS2 (0.36) PTGS2HSD11B1CYP19A1MGLLFAAH
SCHEMBL5559153 0.87 TSHR (0.36) PTGS2TSHRHSD11B1CYP19A1HPGD
SCHEMBL5799094 0.87 L3MBTL1 (0.38) PTGS2HSD11B1MGLL
SCHEMBL5798703 0.86 PTGS2 (0.43) PTGS2TSHRCYP19A1HPGDHCRTR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 WO disclosed